Introduction to Hartree-Fock Molecular Orbital Theory Part 1

  Рет қаралды 21,404

David Sherrill

David Sherrill

3 жыл бұрын

This video introduces the theory behind Hartree-Fock Molecular Orbital theory, starting from the assumption of the Born-Oppenheimer approximation and the form of the electronic Hamiltonian, to the assumption of a single Slater determinant, to the Hartree-Fock energy expression that we minimize when applying the variational method.

Пікірлер: 18
@bachnguyen4471
@bachnguyen4471 3 жыл бұрын
I recommend everyone to watch Prof. Chris Cramer's lecture series too. Both Prof. Sherrill and Prof. Cramer are excellent lecturers.
@ladysm
@ladysm 3 жыл бұрын
Thanks for all the great lectures. I especially like that you elaborate on the physical interpretation of the integrals.
@qingfengwang2404
@qingfengwang2404 2 жыл бұрын
One of the best lectures in HF. A must watch for anyone wants to know about HF.
@kevinhevans
@kevinhevans 3 жыл бұрын
This video was a lifesaver for my atomic/molecular physics class.
@freshd2431
@freshd2431 10 ай бұрын
Thank you Prof. Sherrill on the excellent explanation of the HF Theory! You covered almost all the relevant questions that popped into my head which made it a very clear lecture! I had a hard time understanding this from my own professor here in austria, so thank you very much!
@garciadiegos
@garciadiegos 2 жыл бұрын
Now everything make sense! Thanks from Brazil!
@klinexxx1871
@klinexxx1871 2 жыл бұрын
Thank you for a great content!!! Very clear explanation.
@abhijit777999
@abhijit777999 Жыл бұрын
Enjoyed the lectures a lot
@MrShafikoff
@MrShafikoff 2 жыл бұрын
The nice physical meaning of exchange integral in based on Pauli principle.
@sahibhasan7095
@sahibhasan7095 Жыл бұрын
Thank you so much, professor
@prakhyashrivastava5987
@prakhyashrivastava5987 Жыл бұрын
Thanks a lot sir...this helped a lot
@chairwood
@chairwood Жыл бұрын
I heard someone mention hartree-fock so I looked it up on youtube and found this video. I have no foundation for any of this stuff so I have no idea what's going on. I have so much to learn before I can understand this...
@blakebaird119
@blakebaird119 Жыл бұрын
I would like to request to link us a repo with minimal working scripts to each of these techniques.
@moyassarmeshhal6696
@moyassarmeshhal6696 3 жыл бұрын
Thank you so much for these lecturers. Which book did you mention at 11:23?
@DavidSherrill1
@DavidSherrill1 3 жыл бұрын
Szabo and Ostlund, Modern Quantum Chemistry... available as an inexpensive Dover paperback, highly recommended
@petelok9969
@petelok9969 Жыл бұрын
Hi Professor, what's the name of the book you mention at around 11:20? Can't quite make it out. Best Wishes. Peter
@bigredone1030
@bigredone1030 Жыл бұрын
The one from the beginning of video
@chetouanesamira6350
@chetouanesamira6350 3 жыл бұрын
thank you . Please write Hartrée fock hypotheses .... !!!
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